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	hartrees
Energy at 0K	-732.261428
Energy at 298.15K	-732.265915
HF Energy	-732.261428
Nuclear repulsion energy	245.172584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3316	2993	2.12
2	A'	3242	2927	1.05
3	A'	1643	1483	1.35
4	A'	1601	1445	27.36
5	A'	1347	1216	178.51
6	A'	1258	1135	145.38
7	A'	982	887	140.54
8	A'	692	624	75.02
9	A'	548	495	24.90
10	A'	446	402	0.72
11	A'	331	299	1.14
12	A"	3338	3013	1.36
13	A"	1653	1492	3.78
14	A"	1394	1258	153.85
15	A"	1121	1012	30.40
16	A"	434	392	0.72
17	A"	349	315	1.09
18	A"	266	240	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.342	0.004	0.000
C2	-0.811	1.429	0.000
Cl3	1.430	-0.127	0.000
F4	-0.811	-0.652	1.098
F5	-0.811	-0.652	-1.098
H6	-1.893	1.431	0.000
H7	-0.452	1.933	0.883
H8	-0.452	1.933	-0.883

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4999	1.7766	1.3623	1.3623	2.1075	2.1242	2.1242
C2	1.4999		2.7278	2.3529	2.3529	1.0819	1.0784	1.0784
Cl3	1.7766	2.7278		2.5501	2.5501	3.6698	2.9264	2.9264
F4	1.3623	2.3529	2.5501		2.1954	2.5915	2.6189	3.2766
F5	1.3623	2.3529	2.5501	2.1954		2.5915	3.2766	2.6189
H6	2.1075	1.0819	3.6698	2.5915	2.5915		1.7629	1.7629
H7	2.1242	1.0784	2.9264	2.6189	3.2766	1.7629		1.7663
H8	2.1242	1.0784	2.9264	3.2766	2.6189	1.7629	1.7663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.344	C1	C2	H7	109.876
C1	C2	H8	109.876	C2	C1	Cl3	112.447
C2	C1	F4	110.488	C2	C1	F5	110.488
Cl3	C1	F4	107.934	Cl3	C1	F5	107.934
F4	C1	F5	107.365	H6	C2	H7	109.380
H6	C2	H8	109.380	H7	C2	H8	109.959

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: HF/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.663
2	C	-0.671
3	Cl	-0.009
4	F	-0.379
5	F	-0.379
6	H	0.264
7	H	0.256
8	H	0.256

	x	y	z	Total
	-0.534	2.556	0.000	2.611
CHELPG
AIM
ESP

	x	y	z
x	5.280	-0.323	0.000
y	-0.323	3.462	0.000
z	0.000	0.000	3.466

<r²>	130.310
(<r²>)^1/2	11.415

All results from a given calculation for CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)